![4-nitrobenzyl N-[(3,4-dimethoxyphenyl)carbonyl]valinate structure](/static/products/1008/1008039-69-7.webp)
4-nitrobenzyl N-[(3,4-dimethoxyphenyl)carbonyl]valinate
TL;DR: 4-nitrobenzyl N-[(3,4-dimethoxyphenyl)carbonyl]valinate (CAS 1008039-69-7) is a chemical compound with molecular formula C21H24N2O7 and molecular weight 416.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]-3-methylbutanoate
Also Known As: 4-nitrobenzyl N-[(3,4-dimethoxyphenyl)carbonyl]valinate, 4-nitrobenzyl 2-(3,4-dimethoxybenzamido)-3-methylbutanoate, (4-nitrophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]-3-methylbutanoate, (4-NITROPHENYL)METHYL 2-[(3,4-DIMETHOXYPHENYL)FORMAMIDO]-3-METHYLBUTANOATE
| Molecular Formula | C21H24N2O7 |
|---|---|
| Molecular Weight | 416.16 g/mol |
| LogP | 3.1098 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 416.15836 |
| Heavy Atoms | 30 |
| Complexity | 910.0709 |
Chemical Identifiers
| CAS Number | 1008039-69-7 |
|---|---|
| SMILES | CC(C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC(=C(C=C2)OC)OC |
Product Overview
4-nitrobenzyl N-[(3,4-dimethoxyphenyl)carbonyl]valinate (CAS 1008039-69-7), with molecular formula C21H24N2O7 and molecular weight 416.16 g/mol. IUPAC: (4-nitrophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]-3-methylbutanoate.
Chemical Property Profile of 4-nitrobenzyl N-[(3,4-dimethoxyphenyl)carbonyl]valinate
Property Insights of 4-nitrobenzyl N-[(3,4-dimethoxyphenyl)carbonyl]valinate
The XLogP value of 3.1098 indicates that 4-nitrobenzyl N-[(3,4-dimethoxyphenyl)carbonyl]valinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitrobenzyl N-[(3,4-dimethoxyphenyl)carbonyl]valinate. Following Lipinski's Rule of Five, 4-nitrobenzyl N-[(3,4-dimethoxyphenyl)carbonyl]valinate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-nitrobenzyl N-[(3,4-dimethoxyphenyl)carbonyl]valinate?
The CAS number of 4-nitrobenzyl N-[(3,4-dimethoxyphenyl)carbonyl]valinate is 1008039-69-7.
What is the molecular formula of 4-nitrobenzyl N-[(3,4-dimethoxyphenyl)carbonyl]valinate?
The molecular formula of 4-nitrobenzyl N-[(3,4-dimethoxyphenyl)carbonyl]valinate is C21H24N2O7.
What is the molecular weight of 4-nitrobenzyl N-[(3,4-dimethoxyphenyl)carbonyl]valinate?
The molecular weight of 4-nitrobenzyl N-[(3,4-dimethoxyphenyl)carbonyl]valinate is 416.16 g/mol.
Where can I buy 4-nitrobenzyl N-[(3,4-dimethoxyphenyl)carbonyl]valinate?
You can request a quote for 4-nitrobenzyl N-[(3,4-dimethoxyphenyl)carbonyl]valinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-nitrobenzyl N-[(3,4-dimethoxyphenyl)carbonyl]valinate?
Yes, KEHONG BIO provides custom synthesis services for 4-nitrobenzyl N-[(3,4-dimethoxyphenyl)carbonyl]valinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.